UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (E)-3-(2-fluorophenyl)-1-[(1S)-1-[4-(2-pyridyl)piperazine-1-carbonyl]-6-azaspiro[2.5]octan-6-yl]prop (E)-3-(2-fluorophenyl)-1-[(1S)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.08 -0.97 -44.61 1 6 1 58 449.55 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(2-fluorophenyl)-1-[(1R)-1-[4-(2-pyridyl)piperazine-1-carbonyl]-6-azaspiro[2.5]octan-6-yl]prop (E)-3-(2-fluorophenyl)-1-[(1R)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.08 -0.99 -44.56 1 6 1 58 449.55 4 ↓

Parameters Provided:

ring.id = 46012
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 46012 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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